SCHEMBL949063

SCHEMBL949063

CC(C)(C)OC(=O)N1CCC(N2CCc3nc4n(c3C2)CCCC4)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
GPR119 Q8TDV5 2/20 0.39
HCAR1 Q9BXC0 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PARP1 P09874 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL949230 0.76 GPR119 (0.43) GPR119HCAR1OPRM1OPRD1OGFRL1
SCHEMBL25235249 0.73 KDM4E (0.46) HPGDGPR119EPHX1MAPTTP53
SCHEMBL17128329 0.72 HPGD (0.62) HPGDGPR119EPHX1MAPTRECQL
SCHEMBL18288785 0.72 ESR2 (0.43) GPR119HCAR1OPRM1OPRD1OGFRL1
SCHEMBL5514832 0.71 HPGD (0.65) HPGDGPR119OPRM1OPRD1OGFRL1
SCHEMBL3160275 0.71 HPGD (0.65) HPGDGPR119OPRM1OPRD1OGFRL1
SCHEMBL3410150 0.70 MAPT (0.49) HPGDGPR119OPRM1OPRD1OGFRL1
SCHEMBL25436027 0.70 POLB (0.43) HPGDGPR119EPHX1MAPTTP53
SCHEMBL994288 0.70 HPGD (0.58) HPGDGPR119OPRM1OPRD1OGFRL1
SCHEMBL6615022 0.69 HPGD (0.48) HPGDGPR119EPHX1MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 HPGD 356/4885GPR119 1327/4885HCAR1 130/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HPGD 248/4885GPR119 1118/4885HCAR1 215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.